N-(1,3-thiazol-5-ylmethyl)-1H-imidazole-5-sulfonamide

C7H8N4O2S2 — CID 104600787

IUPACN-(1,3-thiazol-5-ylmethyl)-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NCc1cncs1)c1cnc[nH]1
InChIInChI=1S/C7H8N4O2S2/c12-15(13,7-3-8-4-10-7)11-2-6-1-9-5-14-6/h1,3-5,11H,2H2,(H,8,10)
InChIKeyRDICNLTWFGCASK-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.34
Rot. Bonds4

About N-(1,3-thiazol-5-ylmethyl)-1H-imidazole-5-sulfonamide

N-(1,3-thiazol-5-ylmethyl)-1H-imidazole-5-sulfonamide (PubChem CID 104600787) has the molecular formula C7H8N4O2S2 and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(1,3-thiazol-5-ylmethyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1,3-thiazol-5-ylmethyl)-1H-imidazole-5-sulfonamide
PubChem CID104600787
Molecular FormulaC7H8N4O2S2
Molecular Weight244.30 g/mol
Exact Mass244.01
IUPAC NameN-(1,3-thiazol-5-ylmethyl)-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NCc1cncs1)c1cnc[nH]1
InChIInChI=1S/C7H8N4O2S2/c12-15(13,7-3-8-4-10-7)11-2-6-1-9-5-14-6/h1,3-5,11H,2H2,(H,8,10)
InChIKeyRDICNLTWFGCASK-UHFFFAOYSA-N
XLogP0.34
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-oxazol-5-ylmethyl)-1H-imidazole-5-sulfonamide
CID 104600364
3-[5-[(1H-imidazol-5-ylsulfonylamino)methyl]thiophen-3-yl]prop-2-enoic acid
CID 77033632
2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid
CID 66167517
N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide
CID 103680413
N-(4-bromobutyl)-1H-imidazole-5-sulfonamide
CID 106846730
4-bromo-2,6-dichloro-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide
CID 113431404
5-cyano-N-(1,3-thiazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106269137
N-(3-bromobutyl)-1H-imidazole-5-sulfonamide
CID 114297759
N-[2-(ethylsulfamoyl)ethyl]-1H-imidazole-5-sulfonamide
CID 103680432
N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide
CID 104600676
N-(quinolin-8-ylmethyl)-1H-imidazole-5-sulfonamide
CID 78996081
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide
CID 112550104

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-5-ylmethyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(1,3-thiazol-5-ylmethyl)-1H-imidazole-5-sulfonamide (CID 104600787) is N-(1,3-thiazol-5-ylmethyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(1,3-thiazol-5-ylmethyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(1,3-thiazol-5-ylmethyl)-1H-imidazole-5-sulfonamide is O=S(=O)(NCc1cncs1)c1cnc[nH]1.
What is the InChIKey of N-(1,3-thiazol-5-ylmethyl)-1H-imidazole-5-sulfonamide?
The InChIKey is RDICNLTWFGCASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S2/c12-15(13,7-3-8-4-10-7)11-2-6-1-9-5-14-6/h1,3-5,11H,2H2,(H,8,10).
What are the key properties of N-(1,3-thiazol-5-ylmethyl)-1H-imidazole-5-sulfonamide?
N-(1,3-thiazol-5-ylmethyl)-1H-imidazole-5-sulfonamide has a molecular weight of 244.30 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-5-ylmethyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 104600787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).